CS-0532457
2-(2-Hydroxypropan-2-yl)isonicotinic acid
Manufacturer: ChemScene
CAS Number: 1021535-47-6
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Purity
98%
MDL No
None
Storage
Store at room temperature
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₉H₁₁NO₃
Molecular Weight
181.19
Synonyms
None
SMILES
O=C(C1=CC(C(C)(C)O)=NC=C1)O
Tpsa
70.42
Logp
1.0072
H Acceptors
3
H Donors
2
Rotatable Bonds
2
SAFETY INFORMATION
Pictograms
Signal Word
Warning
UN Number
N/A
Class
N/A
Packing Group
N/A
Hazard Statements
Precautionary Statements
P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501
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Purity: 98%
MDL No: None
Storage: Store at room temperature
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₁₁NO₃
Molecular Weight: 181.19
Synonyms: None
SMILES: O=C(C1=CC(C(C)(C)O)=NC=C1)O
Tpsa: 70.42
Logp: 1.0072
H Acceptors: 3
H Donors: 2
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
Store at room temperature
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₁₁NO₃
Molecular Weight:
181.19
Synonyms:
None
SMILES:
O=C(C1=CC(C(C)(C)O)=NC=C1)O
Tpsa:
70.42
Logp:
1.0072
H Acceptors:
3
H Donors:
2
Rotatable Bonds:
2
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₀H₁₀N₂O₃
Molecular Weight: 206.20
Synonyms: 1H-Benzimidazole-6-carboxylic acid, 7-methoxy-, methyl ester
SMILES: O=C(C1=CC=C2N=CNC2=C1OC)OC
Tpsa: 64.21
Logp: 1.3581
H Acceptors: 4
H Donors: 1
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₀H₁₀N₂O₃
Molecular Weight:
206.20
Synonyms:
1H-Benzimidazole-6-carboxylic acid, 7-methoxy-, methyl ester
SMILES:
O=C(C1=CC=C2N=CNC2=C1OC)OC
Tpsa:
64.21
Logp:
1.3581
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
2
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₈HClF₆N₂
Molecular Weight: 274.55
Synonyms: None
SMILES: N#CC1=C(N=C(C(F)(F)F)C=C1C(F)(F)F)Cl
Tpsa: 36.68
Logp: 3.64428
H Acceptors: 2
H Donors: 0
Rotatable Bonds: 0
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₈HClF₆N₂
Molecular Weight:
274.55
Synonyms:
None
SMILES:
N#CC1=C(N=C(C(F)(F)F)C=C1C(F)(F)F)Cl
Tpsa:
36.68
Logp:
3.64428
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
0
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂H₃Cl₂N₃S
Molecular Weight: 172.04
Synonyms: None
SMILES: ClC1=NN=C(N)S1.Cl
Tpsa: 51.8
Logp: 1.1955
H Acceptors: 4
H Donors: 1
Rotatable Bonds: 0
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂H₃Cl₂N₃S
Molecular Weight:
172.04
Synonyms:
None
SMILES:
ClC1=NN=C(N)S1.Cl
Tpsa:
51.8
Logp:
1.1955
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
0